N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C20H16F2N2O2 — CID 55782034

IUPACN-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C20H16F2N2O2/c21-20(22)26-13-6-3-5-12(11-13)23-19(25)18-14-7-1-2-9-16(14)24-17-10-4-8-15(17)18/h1-3,5-7,9,11,20H,4,8,10H2,(H,23,25)
InChIKeyBGAZPLBSEPMEEP-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.58
Rot. Bonds4

About N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 55782034) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID55782034
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C20H16F2N2O2/c21-20(22)26-13-6-3-5-12(11-13)23-19(25)18-14-7-1-2-9-16(14)24-17-10-4-8-15(17)18/h1-3,5-7,9,11,20H,4,8,10H2,(H,23,25)
InChIKeyBGAZPLBSEPMEEP-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2428416
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
N-(4-ethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2314335
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 9247827
[2-(3-fluoroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2599687
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
N-(3-chloro-2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 29452933
N-imidazo[1,2-a]pyrimidin-6-yl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 167969636

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 55782034) is N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is O=C(Nc1cccc(OC(F)F)c1)c1c2c(nc3ccccc13)CCC2.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is BGAZPLBSEPMEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c21-20(22)26-13-6-3-5-12(11-13)23-19(25)18-14-7-1-2-9-16(14)24-17-10-4-8-15(17)18/h1-3,5-7,9,11,20H,4,8,10H2,(H,23,25).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 55782034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).